Nrf2-IN-3
TL;DR: Nrf2-IN-3 (CAS 6325-13-9) is a chemical compound with molecular formula C22H26N4O4S and molecular weight 442.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-hydroxyphenyl)methylideneamino]-4-[4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-oxobutyl]sulfanylbutanamide
Also Known As: Nrf2-IN-3, N'-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-4-[4-oxo-
| Molecular Formula | C22H26N4O4S |
|---|---|
| Molecular Weight | 442.17 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 442.16748 |
| Heavy Atoms | 31 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 6325-13-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=NNC(=O)CCCSCCCC(=O)NN=CC2=CC=CC=C2O)O |
| InChIKey | MWGPMYRFUXZJAS-UHFFFAOYSA-N |
Product Overview
Nrf2-IN-3 (CAS 6325-13-9), with molecular formula C22H26N4O4S and molecular weight 442.17 g/mol. IUPAC: N-[(2-hydroxyphenyl)methylideneamino]-4-[4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-oxobutyl]sulfanylbutanamide.
Chemical Property Profile of Nrf2-IN-3
Property Insights of Nrf2-IN-3
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nrf2-IN-3. The TPSA of 149.0 Ų indicates high polarity, suggesting Nrf2-IN-3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nrf2-IN-3 has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nrf2-IN-3?
The CAS number of Nrf2-IN-3 is 6325-13-9.
What is the molecular formula of Nrf2-IN-3?
The molecular formula of Nrf2-IN-3 is C22H26N4O4S.
What is the molecular weight of Nrf2-IN-3?
The molecular weight of Nrf2-IN-3 is 442.17 g/mol.
Where can I buy Nrf2-IN-3?
You can request a quote for Nrf2-IN-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nrf2-IN-3?
Yes, KEHONG BIO provides custom synthesis services for Nrf2-IN-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.